5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine

C12H16ClNO — CID 81301364

IUPAC5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H16ClNO/c1-15-5-4-14-12-7-9-2-3-11(13)6-10(9)8-12/h2-3,6,12,14H,4-5,7-8H2,1H3
InChIKeyOBSKYIPHCCABKO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.04
Rot. Bonds4

About 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81301364) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81301364
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H16ClNO/c1-15-5-4-14-12-7-9-2-3-11(13)6-10(9)8-12/h2-3,6,12,14H,4-5,7-8H2,1H3
InChIKeyOBSKYIPHCCABKO-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107094112
5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 81332711
5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
CID 113291766
5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
CID 115890130
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 81300280
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776963
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 81343273
5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
CID 115716168
5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348711
5-chloro-N-(2-cyclohexylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348932
N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide
CID 103776642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine (CID 81301364) is 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine is COCCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is OBSKYIPHCCABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-5-4-14-12-7-9-2-3-11(13)6-10(9)8-12/h2-3,6,12,14H,4-5,7-8H2,1H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81301364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).